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Conformers: ABBIImiBZICOPNSYNN
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1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM

Results of the assignment of 60 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

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Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.
Define restraints for steps within Å cartesian RMSD, global sigma scaling factor or use per step sigma scaling.
step numberStep nameCANANtCconfalrmsd
011i2y_A_G1_C2AAAAA00770.20 AA00
021i2y_A_C2_G3AAAAA00840.20 AA00
031i2y_A_G3_DA4AAAAA00750.25 AA00
041i2y_A_DA4_DT5A-BAB05850.25 AB05
051i2y_A_DT5_DA6BBBBB00910.14 BB00
061i2y_A_DA6_DT7BBBBB01860.20 BB01
071i2y_A_DT7_A8NANNANT00.89 OP14
081i2y_A_A8_C9OPNOP11560.64 OP11
091i2y_A_C9_G10AAAAA00720.23 AA00
101i2y_A_G10_U11AAAAA00510.24 AA00
111i2y_B_G21_C22AAAAA00850.24 AA00
121i2y_B_C22_G23AAAAA00760.24 AA00
131i2y_B_G23_DA24AAAAA00740.28 AA00
141i2y_B_DA24_DT25A-BAB05900.20 AB05
151i2y_B_DT25_DA26BBBBB00910.16 BB00
161i2y_B_DA26_DT27BBBBB00830.20 BB00
171i2y_B_DT27_A28NANNANT00.89 OP14
181i2y_B_A28_C29NANNANT00.23 OP17
191i2y_B_C29_G30AAAAA00860.20 AA00
201i2y_B_G30_U31AAAAA00730.25 AA00
211i2y_C_G101_C102AAAAA00820.21 AA00
221i2y_C_C102_G103AAAAA00750.25 AA00
231i2y_C_G103_DA104AAAAA00630.30 AA00
241i2y_C_DA104_DT105A-BAB05730.24 AB05
251i2y_C_DT105_DA106BBBBB00800.24 BB00
261i2y_C_DA106_DT107BBBBB00950.14 BB00
271i2y_C_DT107_A108NANNANT00.69 OP14
281i2y_C_A108_C109NANNANT00.35 OP17
291i2y_C_C109_G110AAAAA00600.27 AA00
301i2y_C_G110_U111AAAAA00730.26 AA00
311i2y_D_G121_C122AAAAA00880.19 AA00
321i2y_D_C122_G123AAAAA00900.15 AA00
331i2y_D_G123_DA124AAAAA00890.17 AA00
341i2y_D_DA124_DT125A-BAB05930.16 AB05
351i2y_D_DT125_DA126BBBBB00840.18 BB00
361i2y_D_DA126_DT127BBBBB00700.22 BB00
371i2y_D_DT127_A128NANNANT00.59 OP13
381i2y_D_A128_C129OPNOP11460.50 OP11
391i2y_D_C129_G130AAAAA00460.30 AA00
401i2y_D_G130_U131AAAAA00850.22 AA00
411i2y_E_G201_C202AAAAA08910.17 AA08
421i2y_E_C202_G203AAAAA00880.17 AA00
431i2y_E_G203_DA204AAAAA00880.20 AA00
441i2y_E_DA204_DT205A-BAB05920.20 AB05
451i2y_E_DT205_DA206BBBBB00440.31 BB00
461i2y_E_DA206_DT207BBBBB00760.22 BB00
471i2y_E_DT207_A208NANNANT01.31 OP17
481i2y_E_A208_C209NANNANT00.57 OP17
491i2y_E_C209_G210AAAAA00760.17 AA00
501i2y_E_G210_U211AAAAA00790.20 AA00
511i2y_F_G221_C222AAAAA00750.27 AA00
521i2y_F_C222_G223AAwAA01930.18 AA01
531i2y_F_G223_DA224AAAAA00590.27 AA00
541i2y_F_DA224_DT225A-BAB05900.20 AB05
551i2y_F_DT225_DA226BBBBB00940.14 BB00
561i2y_F_DA226_DT227BBBBB00150.26 BB00
571i2y_F_DT227_A228NANNANT01.67 IC03
581i2y_F_A228_C229NANNANT01.46 OP05
591i2y_F_C229_G230AAAAA00590.27 AA00
601i2y_F_G230_U231AAAAA00600.23 AA00

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.
Definition of torsion angles
step:
Table of conformers

δ1ε1ζ1α2β2γ2δ2χ1χ2μNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA
Similarity of step to class averages

Download

Results as csv or json file.
Best NtC fitted to input structure.

Restraints

Restraints file for REFMAC (steps with RMSD <= 0.5Å)
Commands file for MMB (steps with RMSD <= 0.5Å)
Restraints file for Phenix (steps with RMSD <= 0.5Å) [?]

Definitions

Average parameters (csv), esd values (csv), and Cartesian coordinates of conformers.

Download the papers

Description of DNATCO server:
Černý et al., Nucleic Acids Research, 44, W284 (2016).
Definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
Example of application:
Schneider et al., Genes, 8(10), 278, (2017).

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